2-(methoxymethyl)-5-[[4-(3-methylphenoxy)piperidin-1-yl]methyl]pyrimidine

C19H25N3O2 — CID 56901094

IUPAC2-(methoxymethyl)-5-[[4-(3-methylphenoxy)piperidin-1-yl]methyl]pyrimidine
SMILESCOCc1ncc(CN2CCC(Oc3cccc(C)c3)CC2)cn1
InChIInChI=1S/C19H25N3O2/c1-15-4-3-5-18(10-15)24-17-6-8-22(9-7-17)13-16-11-20-19(14-23-2)21-12-16/h3-5,10-12,17H,6-9,13-14H2,1-2H3
InChIKeyZBDHSIOYLJIVBM-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.97
Rot. Bonds6

About 2-(methoxymethyl)-5-[[4-(3-methylphenoxy)piperidin-1-yl]methyl]pyrimidine

2-(methoxymethyl)-5-[[4-(3-methylphenoxy)piperidin-1-yl]methyl]pyrimidine (PubChem CID 56901094) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 2-(methoxymethyl)-5-[[4-(3-methylphenoxy)piperidin-1-yl]methyl]pyrimidine.

Molecular Properties

Compound Name2-(methoxymethyl)-5-[[4-(3-methylphenoxy)piperidin-1-yl]methyl]pyrimidine
PubChem CID56901094
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name2-(methoxymethyl)-5-[[4-(3-methylphenoxy)piperidin-1-yl]methyl]pyrimidine
SMILESCOCc1ncc(CN2CCC(Oc3cccc(C)c3)CC2)cn1
InChIInChI=1S/C19H25N3O2/c1-15-4-3-5-18(10-15)24-17-6-8-22(9-7-17)13-16-11-20-19(14-23-2)21-12-16/h3-5,10-12,17H,6-9,13-14H2,1-2H3
InChIKeyZBDHSIOYLJIVBM-UHFFFAOYSA-N
XLogP2.97
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-5-[[4-(3-methylphenoxy)piperidin-1-yl]methyl]pyrimidine?
The IUPAC name of 2-(methoxymethyl)-5-[[4-(3-methylphenoxy)piperidin-1-yl]methyl]pyrimidine (CID 56901094) is 2-(methoxymethyl)-5-[[4-(3-methylphenoxy)piperidin-1-yl]methyl]pyrimidine.
What is the SMILES notation for 2-(methoxymethyl)-5-[[4-(3-methylphenoxy)piperidin-1-yl]methyl]pyrimidine?
The canonical SMILES for 2-(methoxymethyl)-5-[[4-(3-methylphenoxy)piperidin-1-yl]methyl]pyrimidine is COCc1ncc(CN2CCC(Oc3cccc(C)c3)CC2)cn1.
What is the InChIKey of 2-(methoxymethyl)-5-[[4-(3-methylphenoxy)piperidin-1-yl]methyl]pyrimidine?
The InChIKey is ZBDHSIOYLJIVBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-15-4-3-5-18(10-15)24-17-6-8-22(9-7-17)13-16-11-20-19(14-23-2)21-12-16/h3-5,10-12,17H,6-9,13-14H2,1-2H3.
What are the key properties of 2-(methoxymethyl)-5-[[4-(3-methylphenoxy)piperidin-1-yl]methyl]pyrimidine?
2-(methoxymethyl)-5-[[4-(3-methylphenoxy)piperidin-1-yl]methyl]pyrimidine has a molecular weight of 327.43 g/mol, XLogP of 2.97, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-5-[[4-(3-methylphenoxy)piperidin-1-yl]methyl]pyrimidine is sourced from PubChem (CID 56901094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).